1,1,1,2,3,3-hexafluoro-3-methoxypropane

C4H4F6O — CID 2778364

IUPAC1,1,1,2,3,3-hexafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
InChIKeyPKMXTDVNDDDCSY-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-3-methoxypropane

1,1,1,2,3,3-hexafluoro-3-methoxypropane (PubChem CID 2778364) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-methoxypropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-methoxypropane
PubChem CID2778364
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,1,2,3,3-hexafluoro-3-methoxypropane
SMILESCOC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
InChIKeyPKMXTDVNDDDCSY-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-methoxypropane (CID 2778364) is 1,1,1,2,3,3-hexafluoro-3-methoxypropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-methoxypropane is COC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-methoxypropane?
The InChIKey is PKMXTDVNDDDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-methoxypropane?
1,1,1,2,3,3-hexafluoro-3-methoxypropane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-methoxypropane is sourced from PubChem (CID 2778364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).